dimethyl 2-[(4-bromanyl-3,5-dimethyl-phenyl)carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[(4-bromanyl-3,5-dimethyl-phenyl)carbonylamino]pentanedioate Openeye Name: dimethyl 2-[(4-bromo-3,5-dimethyl-benzoyl)amino]pentanedioate CAS Name: 2-[[(4-bromo-3,5-dimethylphenyl)-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-bromo-3,5-dimethylbenzoyl)amino]pentanedioate Traditional Name: 2-[(4-bromo-3,5-dimethyl-benzoyl)amino]glutaric acid dimethyl ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)C(=O)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C16H20BrNO5/c1-9-7-11(8-10(2)14(9)17)15(20)18-12(16(21)23-4)5-6-13(19)22-3/h7-8,12H,5-6H2,1-4H3,(H,18,20)